1-tert-butyl-1,3-azaphosphetidin-2-one

C6H12NOP — CID 58980621

IUPAC1-tert-butyl-1,3-azaphosphetidin-2-one
SMILESCC(C)(C)N1CPC1=O
InChIInChI=1S/C6H12NOP/c1-6(2,3)7-4-9-5(7)8/h9H,4H2,1-3H3
InChIKeyWYIXCPMGEPKWHB-UHFFFAOYSA-N
MW145.14 g/mol
LogP1.86
Rot. Bonds

About 1-tert-butyl-1,3-azaphosphetidin-2-one

1-tert-butyl-1,3-azaphosphetidin-2-one (PubChem CID 58980621) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-tert-butyl-1,3-azaphosphetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-1,3-azaphosphetidin-2-one
PubChem CID58980621
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-tert-butyl-1,3-azaphosphetidin-2-one
SMILESCC(C)(C)N1CPC1=O
InChIInChI=1S/C6H12NOP/c1-6(2,3)7-4-9-5(7)8/h9H,4H2,1-3H3
InChIKeyWYIXCPMGEPKWHB-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,3-azaphosphetidin-2-one?
The IUPAC name of 1-tert-butyl-1,3-azaphosphetidin-2-one (CID 58980621) is 1-tert-butyl-1,3-azaphosphetidin-2-one.
What is the SMILES notation for 1-tert-butyl-1,3-azaphosphetidin-2-one?
The canonical SMILES for 1-tert-butyl-1,3-azaphosphetidin-2-one is CC(C)(C)N1CPC1=O.
What is the InChIKey of 1-tert-butyl-1,3-azaphosphetidin-2-one?
The InChIKey is WYIXCPMGEPKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOP/c1-6(2,3)7-4-9-5(7)8/h9H,4H2,1-3H3.
What are the key properties of 1-tert-butyl-1,3-azaphosphetidin-2-one?
1-tert-butyl-1,3-azaphosphetidin-2-one has a molecular weight of 145.14 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3-azaphosphetidin-2-one is sourced from PubChem (CID 58980621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).